SCHEMBL2316586

SCHEMBL2316586

CCN/C(=N/S(=O)(=O)c1cccc(Cl)c1)N1CC(C)(C)C=N1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.69
HTR2B P41595 1/20 0.69
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
HTR1D P28221 1/20 0.51
HTR3A P46098 1/20 0.51
KCNH2 Q12809 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2316593 1.00 HTR6 (0.69) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL6885852 1.00 HTR6 (0.69) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL13303173 0.90 HTR6 (0.69) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL7996655 0.89 HTR6 (0.54) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL14113986 0.89 HTR6 (0.54) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL1178959 0.89 HTR6 (0.54) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL1178962 0.89 HTR6 (0.54) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL13303238 0.89 HTR6 (0.70) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL1179376 0.88 HTR6 (0.53) HTR6HTR2BCHRM2CHRM4HTR1A
SCHEMBL1179374 0.88 HTR6 (0.53) HTR6HTR2BCHRM2CHRM4HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BHAMAS LTD. (BS) 2014-10-09 US disclosed
EP-2528900-B1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBVIE BAHAMAS LTD (BS) 2014-06-11 EP disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HOSPITALS LIMITED (BS) 2013-03-07 US disclosed
EP-2528900-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES Abbott Healthcare Products B.V. (NL) 2012-12-05 EP disclosed
EP-2069310-B1 SULFONYLPYRAZOLINE-1-CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-12-14 EP disclosed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 WO disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-7728018-B2 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-01 US disclosed
EP-2069310-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-06-17 EP disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders HTR6, HCRTR2, HTR2C HTR6 1/4885HTR2B 6/4885CHRM2 44/4885
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 HTR6 1/4885HTR2B 6/4885CHRM2 49/4885
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 HTR6 1/4885HTR2B 6/4885CHRM2 49/4885
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES HTR6, HTR5A, HTR4 HTR6 1/4885HTR2B 16/4885CHRM2 624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.